1-[2-(2-hydroxyethoxy)ethyl]-3-(2-methylprop-1-enyl)urea

C9H18N2O3 — CID 108909934

IUPAC1-[2-(2-hydroxyethoxy)ethyl]-3-(2-methylprop-1-enyl)urea
SMILESCC(C)=CNC(=O)NCCOCCO
InChIInChI=1S/C9H18N2O3/c1-8(2)7-11-9(13)10-3-5-14-6-4-12/h7,12H,3-6H2,1-2H3,(H2,10,11,13)
InChIKeyLQQXDYOIQBNHIK-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.22
Rot. Bonds6

About 1-[2-(2-hydroxyethoxy)ethyl]-3-(2-methylprop-1-enyl)urea

1-[2-(2-hydroxyethoxy)ethyl]-3-(2-methylprop-1-enyl)urea (PubChem CID 108909934) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethoxy)ethyl]-3-(2-methylprop-1-enyl)urea.

Molecular Properties

Compound Name1-[2-(2-hydroxyethoxy)ethyl]-3-(2-methylprop-1-enyl)urea
PubChem CID108909934
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name1-[2-(2-hydroxyethoxy)ethyl]-3-(2-methylprop-1-enyl)urea
SMILESCC(C)=CNC(=O)NCCOCCO
InChIInChI=1S/C9H18N2O3/c1-8(2)7-11-9(13)10-3-5-14-6-4-12/h7,12H,3-6H2,1-2H3,(H2,10,11,13)
InChIKeyLQQXDYOIQBNHIK-UHFFFAOYSA-N
XLogP0.22
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethoxy)ethyl]-3-(2-methylprop-1-enyl)urea?
The IUPAC name of 1-[2-(2-hydroxyethoxy)ethyl]-3-(2-methylprop-1-enyl)urea (CID 108909934) is 1-[2-(2-hydroxyethoxy)ethyl]-3-(2-methylprop-1-enyl)urea.
What is the SMILES notation for 1-[2-(2-hydroxyethoxy)ethyl]-3-(2-methylprop-1-enyl)urea?
The canonical SMILES for 1-[2-(2-hydroxyethoxy)ethyl]-3-(2-methylprop-1-enyl)urea is CC(C)=CNC(=O)NCCOCCO.
What is the InChIKey of 1-[2-(2-hydroxyethoxy)ethyl]-3-(2-methylprop-1-enyl)urea?
The InChIKey is LQQXDYOIQBNHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-8(2)7-11-9(13)10-3-5-14-6-4-12/h7,12H,3-6H2,1-2H3,(H2,10,11,13).
What are the key properties of 1-[2-(2-hydroxyethoxy)ethyl]-3-(2-methylprop-1-enyl)urea?
1-[2-(2-hydroxyethoxy)ethyl]-3-(2-methylprop-1-enyl)urea has a molecular weight of 202.25 g/mol, XLogP of 0.22, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethoxy)ethyl]-3-(2-methylprop-1-enyl)urea is sourced from PubChem (CID 108909934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).